Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | PDE2A | O00408 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 2/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL23258014 | 0.87 | CYP2D6 (0.42) | CYP2D6HIF1ACA12CA1CA2 | |
| SCHEMBL23258013 | 0.80 | ALOX5 (0.50) | CYP2D6HIF1ACA12CA1CA2 | |
| SCHEMBL24689171 | 0.80 | CA12 (0.36) | CYP2D6HIF1ACA12CA1CA2 | |
| SCHEMBL23257937 | 0.78 | CYP2D6 (0.38) | CYP2D6HIF1AAPPTRPA1TAS1R3 | |
| SCHEMBL29172969 | 0.77 | CYP2D6 (0.60) | CYP2D6HIF1ACA12CA9ATM | |
| SCHEMBL24173635 | 0.77 | CYP2D6 (0.60) | CYP2D6HIF1ACA12CA9ATM | |
| SCHEMBL4792814 | 0.77 | NPC1 (0.47) | CA12CA1CA2CA9APP | |
| SCHEMBL24689328 | 0.76 | CYP2D6 (0.35) | CYP2D6HIF1ACA12CA1CA2 | |
| SCHEMBL20559465 | 0.75 | CA12 (0.41) | CA12CA1CA2CA9APP | |
| SCHEMBL20559467 | 0.75 | CA12 (0.41) | CA12CA1CA2CA9APP |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022079091-A1 | TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2022-04-21 | — | — | WO | disclosed |
| WO-2022002782-A1 | TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2022-01-06 | — | — | WO | disclosed |
| WO-2022002780-A1 | TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2022-01-06 | — | — | WO | disclosed |